SCHEMBL7540435

SCHEMBL7540435

CNC1CCc2c(C=S)ccc(OC)c2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.55
DRD3 P35462 4/20 0.55
DRD4 P21917 3/20 0.55
ADRA1A P35348 3/20 0.44
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
CYP1A2 P05177 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7543833 0.99 DRD2 (0.53) DRD2DRD3DRD4ADRA1AMTNR1A
SCHEMBL7541153 0.85 ADRA1A (0.41) DRD2DRD3DRD4ADRA1AMTNR1A
SCHEMBL30440801 0.85 DRD2 (0.67) DRD2DRD3DRD4ADRA1AMTNR1A
SCHEMBL7547852 0.85 DRD2 (0.67) DRD2DRD3DRD4ADRA1AMTNR1A
SCHEMBL7540827 0.85 DRD2 (0.67) DRD2DRD3DRD4ADRA1AMTNR1A
Hydrochloric Acid SCHEMBL7540838 0.84 DRD2 (0.65) DRD2DRD3DRD4ADRA1AMTNR1A
Hydrochloric Acid SCHEMBL7540431 0.84 DRD2 (0.65) DRD2DRD3DRD4ADRA1AMTNR1A
Hydrochloric Acid SCHEMBL30510685 0.84 DRD2 (0.65) DRD2DRD3DRD4ADRA1AMTNR1A
Hydrochloric Acid SCHEMBL7540241 0.84 DRD2 (0.65) DRD2DRD3DRD4ADRA1AMTNR1A
SCHEMBL7543018 0.80 ADRA1A (0.71) DRD2DRD3DRD4ADRA1ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP claimed